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SMILES: N1=C(C([C@@H](C1[C@H]([C@H](O)C)C(=O)O)C)S[C@@H]1CN[C@@H](C1)C(=O)Nc1cc(ccc1)C(=O)O)C(=O)O Canonical SMILES: O=C([C@H]1NC[C@H](C1)SC1C(=NC([C@H]1C)[C@@H](C(=O)O)[C@H](O)C)C(=O)O)Nc1cccc(c1)C(=O)O InChI: InChI=1S/C22H27N3O8S/c1-9-16(15(10(2)26)21(30)31)25-17(22(32)33)18(9)34-13-7-14(23-8-13)19(27)24-12-5-3-4-11(6-12)20(28)29/h3-6,9-10,13-16,18,23,26H,7-8H2,1-2H3,(H,24,27)(H,28,29)(H,30,31)(H,32,33)/t9-,10-,13+,14+,15+,16?,18?/m1/s1 InChIKey: MLCVCXYVRPDWBV-CLBDNALYSA-N
CBID:163697 http://www.chembase.cn/molecule-163697.html